HRID1123576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID73722

Acetonitrile, (m-chlorophenyl)-

C8H6ClN

HCID41541757

4-[3-(Phenylmethyl)-1,2,4-oxadiazol-5-yl]piperidine

C14H17N3O

结构：CN(CC1(c2cccc(Cl)c2)CC1C=O)S(=O)(=O)c1ccccc1

HCID178482565

未命名化合物

PRODUCTS

生成物

结构：CN(CC1(c2cccc(Cl)c2)CC1CN1CCC(c2nc(Cc3ccccc3)no2)CC1)S(=O)(=O)c1ccccc1

HCID178482564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-621bd5dcab114d21ab381eeffe0fd63d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[c:42]1[n:43][o:44][c:45]([CH:47]2[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]2)[n:46]1.[Cl:1][c:2]1[cH:3][c:4]([C:8]2([CH2:13][N:14]([S:15](=[O:16])(=[O:17])[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH3:24])[CH:9]([CH:11]=[O:12])[CH2:10]2)[cH:5][cH:6][cH:7]1.[Cl:25][c:26]1[cH:27][c:28]([CH2:29][C:30]#[N:31])[cH:32][cH:33][cH:34]1>>[Cl:1][c:2]1[cH:3][c:4]([C:8]2([CH2:13][N:14]([S:15](=[O:16])(=[O:17])[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH3:24])[CH:9]([CH2:11][N:50]3[CH2:49][CH2:48][CH:47]([c:45]4[o:44][n:43][c:42]([CH2:35][c:36]5[cH:37][cH:38][cH:39][cH:40][cH:41]5)[n:46]4)[CH2:52][CH2:51]3)[CH2:10]2)[cH:5][cH:6][cH:7]1